Charge: 2
Inchi:1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/q+2
Electronic States
Energy
(eV)
-768.17180
Description
D0
Multiplicity
2
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.01701 b
(cm-1)
0.01294 c
(cm-1)
0.00735
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.49136
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
-0.61300
Eigenvectors
#
X
Y
Z
1
0.00000
-0.00261
-0.00424
2
0.00000
0.00261
-0.00424
3
0.00000
0.00130
-0.01816
4
0.00000
-0.00130
-0.01816
5
0.00000
-0.02660
0.02362
6
0.00000
0.02660
0.02362
7
0.00000
0.00647
-0.05694
8
0.00000
-0.00647
-0.05694
9
0.00000
-0.00425
0.03305
10
0.00000
0.00425
0.03305
11
0.00000
0.00587
0.05060
12
0.00000
-0.00587
0.05060
13
0.00000
-0.03616
0.06754
14
0.00000
0.03616
0.06754
15
0.00000
-0.02423
0.07921
16
0.00000
0.02423
0.07921
17
0.00000
-0.00564
-0.08324
18
0.00000
0.00564
-0.08324
19
0.00000
0.00046
-0.09914
20
0.00000
-0.00046
-0.09914
21
0.00000
-0.02359
0.09490
22
0.00000
0.02359
0.09490
23
0.00000
0.03940
0.06906
24
0.00000
-0.03940
0.06906
25
0.00000
-0.05741
0.08006
26
0.00000
0.05741
0.08006
27
0.00000
0.01358
0.02378
28
0.00000
-0.01358
0.02378
29
0.00000
-0.00285
-0.08024
30
0.00000
0.00285
-0.08024
31
0.00000
0.00917
-0.09603
32
0.00000
-0.00917
-0.09603